N-methyl-4-(6-oxopyrimidin-1-yl)butanamide

C9H13N3O2 — CID 116622738

IUPACN-methyl-4-(6-oxopyrimidin-1-yl)butanamide
SMILESCNC(=O)CCCn1cnccc1=O
InChIInChI=1S/C9H13N3O2/c1-10-8(13)3-2-6-12-7-11-5-4-9(12)14/h4-5,7H,2-3,6H2,1H3,(H,10,13)
InChIKeyPEOMAHOTMXWUQD-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.23
Rot. Bonds4

About N-methyl-4-(6-oxopyrimidin-1-yl)butanamide

N-methyl-4-(6-oxopyrimidin-1-yl)butanamide (PubChem CID 116622738) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is N-methyl-4-(6-oxopyrimidin-1-yl)butanamide.

Molecular Properties

Compound NameN-methyl-4-(6-oxopyrimidin-1-yl)butanamide
PubChem CID116622738
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC NameN-methyl-4-(6-oxopyrimidin-1-yl)butanamide
SMILESCNC(=O)CCCn1cnccc1=O
InChIInChI=1S/C9H13N3O2/c1-10-8(13)3-2-6-12-7-11-5-4-9(12)14/h4-5,7H,2-3,6H2,1H3,(H,10,13)
InChIKeyPEOMAHOTMXWUQD-UHFFFAOYSA-N
XLogP-0.23
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1H-pyrimidin-3-ium-6-one
CID 60123494
3-[2-(Methylamino)ethyl]pyrimidin-4-one
CID 63768123
(2S)-2-(6-oxopyrimidin-1-yl)butanamide
CID 141040928
N-ethyl-N-[3-(prop-2-enoylamino)propyl]-3-(4H-pyrimidin-3-yl)propanamide
CID 153593507
butane;1H-pyrimidin-6-one
CID 174559669
3-[2-(Methylamino)propyl]pyrimidin-4-one
CID 63767943
3-[2-(Propylamino)butyl]pyrimidin-4-one
CID 63767948
3-[3-(2-Methylpropylamino)propyl]pyrimidin-4-one
CID 63767949
3-[3-(Propan-2-ylamino)propyl]pyrimidin-4-one
CID 63767950
3-[3-(Ethylamino)propyl]pyrimidin-4-one
CID 63767956
3-[4-(Ethylamino)pentyl]pyrimidin-4-one
CID 63767957
3-(2-Aminobutyl)pyrimidin-4-one
CID 63768131

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(6-oxopyrimidin-1-yl)butanamide?
The IUPAC name of N-methyl-4-(6-oxopyrimidin-1-yl)butanamide (CID 116622738) is N-methyl-4-(6-oxopyrimidin-1-yl)butanamide.
What is the SMILES notation for N-methyl-4-(6-oxopyrimidin-1-yl)butanamide?
The canonical SMILES for N-methyl-4-(6-oxopyrimidin-1-yl)butanamide is CNC(=O)CCCn1cnccc1=O.
What is the InChIKey of N-methyl-4-(6-oxopyrimidin-1-yl)butanamide?
The InChIKey is PEOMAHOTMXWUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-10-8(13)3-2-6-12-7-11-5-4-9(12)14/h4-5,7H,2-3,6H2,1H3,(H,10,13).
What are the key properties of N-methyl-4-(6-oxopyrimidin-1-yl)butanamide?
N-methyl-4-(6-oxopyrimidin-1-yl)butanamide has a molecular weight of 195.22 g/mol, XLogP of -0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(6-oxopyrimidin-1-yl)butanamide is sourced from PubChem (CID 116622738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).